(3,4-dimethylphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-dimethylphenyl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H26N2O2/c1-16-4-7-19(14-17(16)2)21(24)23-12-10-22(11-13-23)15-18-5-8-20(25-3)9-6-18/h4-9,14H,10-13,15H2,1-3H3/p+1